SCHEMBL9701531

SCHEMBL9701531

CCCCc1cn(CC=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.49
ICMT O60725 2/20 0.48
CNR2 P34972 2/20 0.47
POLB P06746 1/20 0.47
DNM2 P50570 4/20 0.46
HTR6 P50406 5/20 0.46
OXER1 Q8TDS5 1/20 0.45
PADI4 Q9UM07 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL632967 0.81 CDC25A (0.48) CDC25AICMTPOLBDNM2HTR6
SCHEMBL27501032 0.80 OXER1 (0.46) CDC25AICMTCNR2POLBHTR6
SCHEMBL27561384 0.79 POLB (0.74) POLBHTR6PADI4
SCHEMBL11623320 0.79 POLB (0.57) CDC25AICMTCNR2POLBDNM2
SCHEMBL10967590 0.78 CDC25A (0.66) CDC25AICMTCNR2DNM2
SCHEMBL10146987 0.76 HTR2A (0.67)
SCHEMBL9701331 0.75 HTR6 (0.62) POLBHTR6
SCHEMBL3449953 0.75 POLB (0.63) CDC25AICMTCNR2POLBDNM2
SCHEMBL23269921 0.74 CDC25A (0.65) CDC25AICMTCNR2DNM2
SCHEMBL17943470 0.74 CDC25A (0.57) CDC25AICMTCNR2POLBDNM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed